Hex4 Mac OS

11 minutes ago, hex4 said: Using an online IQ test, or thinking IQ tests are a measure of intelligence (as opposed to purely crystallized intelligence), is the sure sign of an idiot. Special snowflake. Hexnode Partner Summit 2021 registrations are now live. A block diagram is a specialized flowchart used in engineering to visualize a system at a high level. SmartDraw helps you make block diagrams easily with built-in automation and block diagram templates. 7.2v充電式 ドライバーなどがお買得価格で購入できるモノタロウは取扱商品1,300万点、3,000円以上のご注文で送料無料になる通販サイトです。. On Tue, Nov 22, 2011 at 9:57 AM, Oti wrote: Frankreinhapa and I are still on the way of setting up a Jenkins instance on Fedora. Since Fedora has a reserved port which is used as fixed port in our tests, I'll commit the two affected tests. (Shy question because I was away for longer: Do we have some Jenkins or build bots at the moment?

November 2013 - Hex 8.0.0 now available for Linux-64, Windows, and IntelMac!

About Hex

Hex is an interactive protein docking and molecular superposition program,written byDave Ritchie.Hex understands protein and DNA structures in PDB format, and it can also read small-molecule SDF files.As of December 2015, there have been over 40,000 downloads.

Hex will run on most Windows-XP,Linux and Mac OS X PCs.The recent versions now include CUDA support for Nvidia GPUs.On a modern workstation, docking times range from a few minutes or less when the search is constrained to known binding sites, to about half an hour for a blind global search (or just a few seconds with CUDA). On multi-processor Linux systems, docking calculation times can be reduced in almost direct proportion to the number of CPUs and GPUs used.The calculations can be accelerated by using an optional disc cache (strongly recommended) of about 1 GB of disc space.

Download Hex

For Academic and Governmental users, a runtime version of Hex may be downloaded free of charge. You are asked only to comply with a wordy, but mostly harmless, licence agreement. Corporate users may also download the software for evaluation, although prior agreement with the author is required if the program is to be used for profit.

Hex 8.0.0for Windows and Linux with GPU acceleration (CUDA 5.0), and Mac OSX

Hex Documentation and Examples

The User Manual is included in the software installation, and is also available here:

The basic installation includes some examples. A more extensive set of docking test cases can be obtained from Zhiping Weng'sDocking Benchmark.

Hex Server

Hex4 Mac OS

If you wish to try Hex without downloading the actual program, pleaseuse the link below to access the on-line docking server. With our new GPU-based code,a typical docking job takes about 5 minutes15 seconds on our server.

Hex Server

Hex and Sam

The 'Sam' (symmetry assembler) program uses the Hex polar Fourier correlationtechnique to build symmetrical protein complexes with any of the naturallyoccurring point group symmetries (Cn, Dn, T, O, and I). Check it out!

Sam 2.0.0(for Linux only)

Hex and KBDOCK

KBDOCK is a database of all known structural domain-domain interaction,built directly from the PDB and Pfam (2013 snapshots).If structural homologues exist for your docking target, KBDOCK might be able to help! If KBDOCK finds homology templates,it can also be used as a handy way to launch a docking job with HexServer.

Hex and CUDA

The GPU accelerated version of Hex was developed usingCUDAwith the help of a kind donation of a GeForce GTX 9800card from theNvidia Professor Partnership Program. Here are some further links relating to CUDA.

Hex Graphics

  • Hex Gallery (quite old graphical overview).

Hex and CAPRI

So how good is Hex, or any other docking algorithm for that matter? The CAPRI(Critical Assessment of Prediction of Interactions) experiment aims toanswer that question. Since the summer of 2001, Hex has taken part in all of the blind prediction rounds of CAPRI, in which the task was to predict thestructures of protein complexes whose structures were in the process of being solved by X-ray crystallography. There are now two special editions of Proteinswhich describe the algorithms and results:Vol 52(1),July 2003,and Vol 60(2), Aug 2005.Overall, in Rounds 1-2 Hex did quite well, scoring 2 close hits for two of the seven targets. In Rounds 3-5, Hex scored a 1.8A RMS hit at rank 6 for target 12 (cohesin/dockerin) and got some further low to medium accuracy hits for targets 10, 11, 12 and 13, but missed the rest!

There is now an on-going Call For Targets for further prediction experiments. If you are a crystallographer in the process of solving the structure of a protein (or DNA) complex, please consider submitting it as a CAPRI target!

Hex, The Movie

  • Hex Docking Movie (best 100 antibody/lysozyme orientations).

Hex, The Planet

Planet Hex has been orbiting somewhere between the earth and the moon since 1999. Have you discovered planet Hex yet?

Hex4 Mac Os X

Hex in France

Hex moved to France in December 2008. The fact that French people often describe Franceas 'Le Hexagon' is a complete coincidence (but a nice one).

References

The following publications describe the algorithms and results obtained with Hex:

  • Protein Docking Using Case-Based Reasoning.A.W. Ghoorah, M. Smail-Tabbone, M.-D. Devignes, D.W. Ritchie, (2013).Proteins: Structure, Function, Bioinformatics,DOI: 10.1002/prot.24433.
  • Ultra-Fast FFT Protein Docking On Graphics Processors.D.W. Ritchie, V. Venkatraman (2010). Bioinformatics, 26, 2398-2405.
  • HexServer: an FFT-based protein docking server powered by graphics processors. G. Macindoe, L. Mavridis, V. Venkatraman, M.-D. Devignes, D.W. Ritchie (2010).Nucleic Acids Research, 38, W445-W449.
  • Spherical Polar Fourier Assembly of Protein Complexes with Arbitrary Point Group Symmetry. D.W. Ritchie and S. Grudinin (2016).Journal of Applied Crystallography,49(1), 158-167.[PDF].
  • Accelerating and Focusing Protein-Protein Docking Correlations Using Multi-DimensionalRotational FFT Generating FunctionsD.W. Ritchie, D. Kozakov, and S. Vajda (2008).Bioinformatics. 24 1865-1873.
  • High Order Analytic Translation Matrix Elements For Real SpaceSix-Dimensional Polar Fourier Correlations,D.W. Ritchie (2005)J. Appl. Cryst. 38, 808-818.
  • Docking Essential Dynamics Eigenstructures,D. Mustard and D.W. Ritchie (2005)PROTEINS: Struct. Funct. Bioinf.60(2) 269-274.
  • Evaluation of Protein Docking PredictionsUsing Hex 3.1 in CAPRI Rounds 1 and 2,D.W. Ritchie (2003)PROTEINS: Struct. Funct. Genet.52(1), 98-106.
  • Protein Docking Using Spherical Polar Fourier Correlations,D.W. Ritchie & G.J.L. Kemp (2000)PROTEINS: Struct. Funct. Genet.39, 178-194.
  • Fast Computation, Rotation, and Comparison of Low ResolutionSpherical Harmonic Molecular Surfaces,D.W. Ritchie & G.J.L. Kemp (1999)J. Comp. Chem.20(4), 383-395.
  • Parametric Protein Shape Recognition,PhD Thesis,D.W. Ritchie,Departments of Computing Science and Molecular & Cell Biology,University of Aberdeen (1998).

For a review about the general field of protein docking, please see:

  • Recent progress and future directions in protein-protein dockingD.W. Ritchie (2008).Curr. Prot. Pep. Sci. 9(1), 1-15.

Funding

Much of the early development of Hex was done during projects funded by the BBSRC.Currently, the main sources of support are the ANRwhich funds some of my projects, and INRIA which pays my salary.

Hex4 Mac Os Update

User Map (added 26/03/2012)